CID 171118712

(2z, 8z)-10-isobutyryloxy matricaria ester

Structural Information

Molecular Formula
C15H16O4
SMILES
CC(C)C(=O)OC/C=C\C#CC#C/C=C\C(=O)OC
InChI
InChI=1S/C15H16O4/c1-13(2)15(17)19-12-10-8-6-4-5-7-9-11-14(16)18-3/h8-11,13H,12H2,1-3H3/b10-8-,11-9-
InChIKey
ARJHCOWIKBCCDX-WGEIWTTOSA-N
Compound name
methyl (2Z,8Z)-10-(2-methylpropanoyloxy)deca-2,8-dien-4,6-diynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.10486 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11214 167.0
[M+Na]+ 283.09408 175.3
[M-H]- 259.09758 167.5
[M+NH4]+ 278.13868 178.1
[M+K]+ 299.06802 171.8
[M+H-H2O]+ 243.10212 153.1
[M+HCOO]- 305.10306 174.8
[M+CH3COO]- 319.11871 215.8
[M+Na-2H]- 281.07953 164.6
[M]+ 260.10431 161.2
[M]- 260.10541 161.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.